SCHEMBL29740957

SCHEMBL29740957

C=C(C)c1c(C#N)c(N)cc2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ CASP1 P29466 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ KDM4E B2RXH2 9/20 0.38
▸ HPGD P15428 6/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BPTF Q12830 2/20 0.37
▸ GAA P10253 7/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29741052 0.72 ALDH1A1 (0.35) ALDH1A1HSD17B10MAPTKDM4EHPGD
SCHEMBL26938659 0.71 NLRP3 (0.37) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL29741173 0.70 BPTF (0.36) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL13091633 0.65 KDM4E (0.40) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL25837417 0.64 KDM4E (0.37) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL21468537 0.63 KDM4E (0.47) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL11038159 0.63 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL10891537 0.63 BCL2L1 (0.46) ALDH1A1MAPTHPGDL3MBTL1TDP1
SCHEMBL21625518 0.63 ALDH1A1 (0.36) ALDH1A1HSD17B10MAPTKMT2APOLB
SCHEMBL23782914 0.62 KDM4E (0.62) ALDH1A1HSD17B10MEN1KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022155419-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. (US) 2022-07-21 — — WO disclosed
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